2-[(5-bromo-2-pyridinyl)amino]butan-1-ol

C9H13BrN2O — CID 43500164

IUPAC2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-2-8(6-13)12-9-4-3-7(10)5-11-9/h3-5,8,13H,2,6H2,1H3,(H,11,12)
InChIKeyFCWKXTMGIGNUTC-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.03
Rot. Bonds4

About 2-[(5-bromo-2-pyridinyl)amino]butan-1-ol

2-[(5-bromo-2-pyridinyl)amino]butan-1-ol (PubChem CID 43500164) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
PubChem CID43500164
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-2-8(6-13)12-9-4-3-7(10)5-11-9/h3-5,8,13H,2,6H2,1H3,(H,11,12)
InChIKeyFCWKXTMGIGNUTC-UHFFFAOYSA-N
XLogP2.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-pyridinyl)amino]propane-1,3-diol
CID 65314489
5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
(2R,4S)-4-[(5-bromo-2-pyridinyl)amino]-2-methylhexan-1-ol
CID 97025562
2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol
CID 82104378
2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63260770
2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79249750
6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile
CID 51681205
(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride
CID 119031686
5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63837105
5-bromo-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 61463582
2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine
CID 65192789
(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
CID 28852088

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]butan-1-ol (CID 43500164) is 2-[(5-bromo-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)amino]butan-1-ol is CCC(CO)Nc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)amino]butan-1-ol?
The InChIKey is FCWKXTMGIGNUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-2-8(6-13)12-9-4-3-7(10)5-11-9/h3-5,8,13H,2,6H2,1H3,(H,11,12).
What are the key properties of 2-[(5-bromo-2-pyridinyl)amino]butan-1-ol?
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 43500164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).